N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide

C17H18N2O3S2 — CID 41176413

IUPACN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYMJQAWBOQYYFSB-OAHLLOKOSA-N
MW362.48 g/mol
LogP2.56
Rot. Bonds4

About N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide (PubChem CID 41176413) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
PubChem CID41176413
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1
InChIInChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyYMJQAWBOQYYFSB-OAHLLOKOSA-N
XLogP2.56
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(ethylsulfamoyl)benzamide
CID 26006999
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)benzamide
CID 7678486
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 41040754
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 16559774
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7678519
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfonylmethyl)benzamide
CID 9117814
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-(trifluoromethyl)benzamide
CID 7536993
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 41083223
3-N-[(3S)-2,3-dihydro-1-benzothiophen-3-yl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97216887
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-(methylsulfamoyl)benzamide
CID 55462599
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide (CID 41176413) is N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCSc3ccccc32)c1.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide?
The InChIKey is YMJQAWBOQYYFSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-18-24(21,22)13-6-4-5-12(11-13)17(20)19-15-9-10-23-16-8-3-2-7-14(15)16/h2-8,11,15,18H,9-10H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide?
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide has a molecular weight of 362.48 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 41176413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).